3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene

C14H23O3P — CID 87589614

IUPAC3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene
SMILESCCP(=O)(OC1C=CCCC1)OC1C=CCCC1
InChIInChI=1S/C14H23O3P/c1-2-18(15,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h5,7,9,11,13-14H,2-4,6,8,10,12H2,1H3
InChIKeyOQHHMGDUCMLINM-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.45
Rot. Bonds5

About 3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene

3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene (PubChem CID 87589614) has the molecular formula C14H23O3P and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene.

Molecular Properties

Compound Name3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene
PubChem CID87589614
Molecular FormulaC14H23O3P
Molecular Weight270.31 g/mol
Exact Mass270.14
IUPAC Name3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene
SMILESCCP(=O)(OC1C=CCCC1)OC1C=CCCC1
InChIInChI=1S/C14H23O3P/c1-2-18(15,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h5,7,9,11,13-14H,2-4,6,8,10,12H2,1H3
InChIKeyOQHHMGDUCMLINM-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene?
The IUPAC name of 3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene (CID 87589614) is 3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene.
What is the SMILES notation for 3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene?
The canonical SMILES for 3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene is CCP(=O)(OC1C=CCCC1)OC1C=CCCC1.
What is the InChIKey of 3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene?
The InChIKey is OQHHMGDUCMLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O3P/c1-2-18(15,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h5,7,9,11,13-14H,2-4,6,8,10,12H2,1H3.
What are the key properties of 3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene?
3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene has a molecular weight of 270.31 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohex-2-en-1-yloxy(ethyl)phosphoryl]oxycyclohexene is sourced from PubChem (CID 87589614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).